(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone

C11H12ClIN2O — CID 103804969

IUPAC(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(I)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12ClIN2O/c12-9-7-8(1-2-10(9)13)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKeyVYVBWGCBQIFIOX-UHFFFAOYSA-N
MW350.59 g/mol
LogP1.99
Rot. Bonds1

About (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone

(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone (PubChem CID 103804969) has the molecular formula C11H12ClIN2O and a molecular weight of 350.59 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
PubChem CID103804969
Molecular FormulaC11H12ClIN2O
Molecular Weight350.59 g/mol
Exact Mass349.97
IUPAC Name(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(I)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12ClIN2O/c12-9-7-8(1-2-10(9)13)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKeyVYVBWGCBQIFIOX-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690
(3-chloro-4-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103209579
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-chloro-4-iodophenyl)methanone;hydrochloride
CID 120656296
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
3-chloro-4-iodo-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805894
(3-chloro-4-iodophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103736208
(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103734767
(3-chloro-4-iodophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638925

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone (CID 103804969) is (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone is O=C(c1ccc(I)c(Cl)c1)N1CCNCC1.
What is the InChIKey of (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone?
The InChIKey is VYVBWGCBQIFIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN2O/c12-9-7-8(1-2-10(9)13)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2.
What are the key properties of (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone?
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone has a molecular weight of 350.59 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 103804969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).